7-bromo-9a-ethoxy-3-(3-nitrophenyl)[1,2,4]oxadiazolo[4,5-a]indol-9(9aH)-one
Chemical Structure Depiction of
7-bromo-9a-ethoxy-3-(3-nitrophenyl)[1,2,4]oxadiazolo[4,5-a]indol-9(9aH)-one
7-bromo-9a-ethoxy-3-(3-nitrophenyl)[1,2,4]oxadiazolo[4,5-a]indol-9(9aH)-one
Compound characteristics
| Compound ID: | 8018-1943 |
| Compound Name: | 7-bromo-9a-ethoxy-3-(3-nitrophenyl)[1,2,4]oxadiazolo[4,5-a]indol-9(9aH)-one |
| Molecular Weight: | 418.2 |
| Molecular Formula: | C17 H12 Br N3 O5 |
| Smiles: | CCOC12C(c3cc(ccc3N1C(c1cccc(c1)[N+]([O-])=O)=NO2)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.091 |
| logD: | 4.091 |
| logSw: | -4.2397 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.458 |
| InChI Key: | ZFDNBMSIXWFZSM-KRWDZBQOSA-N |